| SpectraBase Compound ID | LpLRtULXvgg |
|---|---|
| InChI | InChI=1S/C13H14ClFO2/c1-2-3-8-17-13(16)12(15)9-10-6-4-5-7-11(10)14/h4-7,9H,2-3,8H2,1H3/b12-9+ |
| InChIKey | FVUWHVKRYCONQG-FMIVXFBMSA-N |
| Mol Weight | 256.7 g/mol |
| Molecular Formula | C13H14ClFO2 |
| Exact Mass | 256.066636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Le5ibYMmvrg |
|---|---|
| Name | (E)-Butyl-3-(2-chlorophenyl)-2-fluoropropenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.066635552 u |
| Formula | C13H14ClFO2 |
| InChI | InChI=1S/C13H14ClFO2/c1-2-3-8-17-13(16)12(15)9-10-6-4-5-7-11(10)14/h4-7,9H,2-3,8H2,1H3/b12-9+ |
| InChIKey | FVUWHVKRYCONQG-FMIVXFBMSA-N |
| Molecular Weight | 256.704 g/mol |
| SMILES | C(OC(\C(F)=C/C1=C(Cl)C=CC=C1)=O)CCC |